N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide

C13H16N2O3S2 — CID 167820242

IUPACN-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C13H16N2O3S2/c1-20(17,18)15-12-4-2-3-11(7-12)14-8-13(16)10-5-6-19-9-10/h2-7,9,13-16H,8H2,1H3
InChIKeyCDHPOLJJCNOMLK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.27
Rot. Bonds6

About N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide

N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide (PubChem CID 167820242) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
PubChem CID167820242
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C13H16N2O3S2/c1-20(17,18)15-12-4-2-3-11(7-12)14-8-13(16)10-5-6-19-9-10/h2-7,9,13-16H,8H2,1H3
InChIKeyCDHPOLJJCNOMLK-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
CID 168636645
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
CID 106434544
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1H-pyridazin-6-one
CID 106436529
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide (CID 167820242) is N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NCC(O)c2ccsc2)c1.
What is the InChIKey of N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide?
The InChIKey is CDHPOLJJCNOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-20(17,18)15-12-4-2-3-11(7-12)14-8-13(16)10-5-6-19-9-10/h2-7,9,13-16H,8H2,1H3.
What are the key properties of N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide?
N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 167820242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).